;DDM [ moleculetype ] ; molname nrexcl DDM 1 [ atoms ] ;id type resnr residu atom cgnr charge mass 1 P1 1 DDM B1 1 0.000 60.0528 2 P2 1 DDM B2 2 0.000 59.0448 3 P4 1 DDM B3 3 0.000 60.0528 4 P2 1 DDM B4 4 0.000 43.0454 5 P1 1 DDM B5 5 0.000 60.0528 6 P4 1 DDM B6 6 0.000 60.0528 7 C1 1 DDM C1 7 0 8 C1 1 DDM C2 8 0 9 C1 1 DDM C3 9 0 [ bonds ] ; i j funct length forcec. 1 2 1 0.222 30000 2 3 1 0.246 30000 2 4 1 0.561 30000 4 5 1 0.239 30000 4 6 1 0.281 30000 4 7 1 0.470 1250 7 8 1 0.470 1250 8 9 1 0.470 1250 [ constraints ] ; i j funct length forcec. 1 2 1 0.222 30000 2 3 1 0.246 30000 2 4 1 0.561 30000 4 5 1 0.239 30000 4 6 1 0.281 30000 [ angles ] ; i j k funct angle forcec. 1 2 4 2 150 50 3 2 4 2 140 50 5 4 2 2 70 100 6 4 2 2 50 25 2 4 7 2 180 25 4 7 8 2 180 25 7 8 9 2 180 25 [ dihedrals ] ; i j k l funct angle forcec. multiplic. 1 2 4 5 1 110 8 1 1 2 4 6 1 -20 5 1 3 2 4 5 1 -80 5 1 1419